3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide

C19H16N4O3 — CID 17459376

IUPAC3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)cc2N1
InChIInChI=1S/C19H16N4O3/c24-18-12-26-17-7-6-14(8-16(17)22-18)19(25)20-9-13-10-21-23(11-13)15-4-2-1-3-5-15/h1-8,10-11H,9,12H2,(H,20,25)(H,22,24)
InChIKeyHNEWVZAVBSJVKS-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.13
Rot. Bonds4

About 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide

3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 17459376) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
PubChem CID17459376
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)cc2N1
InChIInChI=1S/C19H16N4O3/c24-18-12-26-17-7-6-14(8-16(17)22-18)19(25)20-9-13-10-21-23(11-13)15-4-2-1-3-5-15/h1-8,10-11H,9,12H2,(H,20,25)(H,22,24)
InChIKeyHNEWVZAVBSJVKS-UHFFFAOYSA-N
XLogP2.13
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55381378
6-[1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886037
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-[(2-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023814
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
CID 59802654
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 146123555
3-oxo-N-[(1-phenyltetrazol-5-yl)methyl]-4H-1,4-benzoxazine-7-carboxamide
CID 119072038
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide (CID 17459376) is 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)cc2N1.
What is the InChIKey of 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is HNEWVZAVBSJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18-12-26-17-7-6-14(8-16(17)22-18)19(25)20-9-13-10-21-23(11-13)15-4-2-1-3-5-15/h1-8,10-11H,9,12H2,(H,20,25)(H,22,24).
What are the key properties of 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide?
3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 17459376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).